Details of the Drug

General Information of Drug (ID: DME4RSI)

Drug Name
Panomifene
Synonyms Panomifine; EGIS-5650
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 427.5
Logarithm of the Partition Coefficient (xlogp) 6.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C25H24F3NO2
IUPAC Name
2-[2-[4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]phenoxy]ethylamino]ethanol
Canonical SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\\C(F)(F)F)/C3=CC=C(C=C3)OCCNCCO
InChI
InChI=1S/C25H24F3NO2/c26-25(27,28)24(21-9-5-2-6-10-21)23(19-7-3-1-4-8-19)20-11-13-22(14-12-20)31-18-16-29-15-17-30/h1-14,29-30H,15-18H2/b24-23+
InChIKey
MHXVDXXARZCVRK-WCWDXBQESA-N
Cross-matching ID
PubChem CID
3033654
CAS Number
77599-17-8
TTD ID
D04HVB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002425)
2 Species differences in metabolism of panomifene, an analogue of tamoxifen. Drug Metab Dispos. 1997 Dec;25(12):1370-8.